N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

C20H22BrN3O4S — CID 46254034

IUPACN-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Br)cc3)ccc21
InChIInChI=1S/C20H22BrN3O4S/c1-2-20(26)24-12-10-14-13-17(7-8-18(14)24)29(27,28)22-11-9-19(25)23-16-5-3-15(21)4-6-16/h3-8,13,22H,2,9-12H2,1H3,(H,23,25)
InChIKeyQMOUCMHSZRJAQY-UHFFFAOYSA-N
MW480.38 g/mol
LogP3.06
Rot. Bonds7

About N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide

N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (PubChem CID 46254034) has the molecular formula C20H22BrN3O4S and a molecular weight of 480.38 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
PubChem CID46254034
Molecular FormulaC20H22BrN3O4S
Molecular Weight480.38 g/mol
Exact Mass479.05
IUPAC NameN-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
SMILESCCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Br)cc3)ccc21
InChIInChI=1S/C20H22BrN3O4S/c1-2-20(26)24-12-10-14-13-17(7-8-18(14)24)29(27,28)22-11-9-19(25)23-16-5-3-15(21)4-6-16/h3-8,13,22H,2,9-12H2,1H3,(H,23,25)
InChIKeyQMOUCMHSZRJAQY-UHFFFAOYSA-N
XLogP3.06
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
CID 46254029
ethyl 4-[3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanoyl]piperazine-1-carboxylate
CID 155900837
3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-propan-2-ylphenyl)propanamide
CID 15997794
N-(2-bromo-4-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361217
N-[3-(dipropylamino)propyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 20851711
ethyl 3-[3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanoylamino]benzoate
CID 46361191
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 46253982
3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]-N-(2-methylphenyl)propanamide
CID 46361209
N-(5-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361185
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
CID 46253964
N-(4-chloro-2-methylphenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonylamino]propanamide
CID 46361184
3,4-dimethyl-N-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]benzenesulfonamide
CID 53092481

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide (CID 46254034) is N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is CCC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)Nc3ccc(Br)cc3)ccc21.
What is the InChIKey of N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
The InChIKey is QMOUCMHSZRJAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22BrN3O4S/c1-2-20(26)24-12-10-14-13-17(7-8-18(14)24)29(27,28)22-11-9-19(25)23-16-5-3-15(21)4-6-16/h3-8,13,22H,2,9-12H2,1H3,(H,23,25).
What are the key properties of N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide?
N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide has a molecular weight of 480.38 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(1-propanoyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide is sourced from PubChem (CID 46254034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).